[(Z)-1-pyrazin-2-ylethylideneamino]thiourea

C7H9N5S — CID 5375406

IUPAC[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1cnccn1
InChIInChI=1S/C7H9N5S/c1-5(11-12-7(8)13)6-4-9-2-3-10-6/h2-4H,1H3,(H3,8,12,13)/b11-5-
InChIKeyLNRWBLGPWCJQEM-WZUFQYTHSA-N
MW195.25 g/mol
LogP0.03
Rot. Bonds2

About [(Z)-1-pyrazin-2-ylethylideneamino]thiourea

[(Z)-1-pyrazin-2-ylethylideneamino]thiourea (PubChem CID 5375406) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is [(Z)-1-pyrazin-2-ylethylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
PubChem CID5375406
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1cnccn1
InChIInChI=1S/C7H9N5S/c1-5(11-12-7(8)13)6-4-9-2-3-10-6/h2-4H,1H3,(H3,8,12,13)/b11-5-
InChIKeyLNRWBLGPWCJQEM-WZUFQYTHSA-N
XLogP0.03
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea
CID 5375900
methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate
CID 13157216
iron(3+);bis(N'-methyl-N-[(E)-1-pyrazin-2-ylethylideneamino]carbamimidothioate);chloride
CID 25154736
dichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea
CID 3005689
aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891
(1-pyridin-2-ylethylideneamino)thiourea;rhodium
CID 175077366
1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
CID 20832604
[2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol
CID 174674695
[1-[6-[N-(carbamothioylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]thiourea
CID 3940512
[(E)-1-(5-butylpyrazin-2-yl)ethylideneamino]thiourea
CID 71744968
1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea
CID 5481307
N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 139078457

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-pyrazin-2-ylethylideneamino]thiourea?
The IUPAC name of [(Z)-1-pyrazin-2-ylethylideneamino]thiourea (CID 5375406) is [(Z)-1-pyrazin-2-ylethylideneamino]thiourea.
What is the SMILES notation for [(Z)-1-pyrazin-2-ylethylideneamino]thiourea?
The canonical SMILES for [(Z)-1-pyrazin-2-ylethylideneamino]thiourea is C/C(=N/NC(N)=S)c1cnccn1.
What is the InChIKey of [(Z)-1-pyrazin-2-ylethylideneamino]thiourea?
The InChIKey is LNRWBLGPWCJQEM-WZUFQYTHSA-N. The full InChI is InChI=1S/C7H9N5S/c1-5(11-12-7(8)13)6-4-9-2-3-10-6/h2-4H,1H3,(H3,8,12,13)/b11-5-.
What are the key properties of [(Z)-1-pyrazin-2-ylethylideneamino]thiourea?
[(Z)-1-pyrazin-2-ylethylideneamino]thiourea has a molecular weight of 195.25 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-pyrazin-2-ylethylideneamino]thiourea is sourced from PubChem (CID 5375406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).